2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine

C13H17BrF3NO — CID 151033657

IUPAC2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
SMILESCC(C)C[C@@H](CF)COc1cnc(Br)cc1C(F)F
InChIInChI=1S/C13H17BrF3NO/c1-8(2)3-9(5-15)7-19-11-6-18-12(14)4-10(11)13(16)17/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-/m0/s1
InChIKeyMAPGOBJFPOZMBF-VIFPVBQESA-N
MW340.18 g/mol
LogP4.79
Rot. Bonds7

About 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine

2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine (PubChem CID 151033657) has the molecular formula C13H17BrF3NO and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
PubChem CID151033657
Molecular FormulaC13H17BrF3NO
Molecular Weight340.18 g/mol
Exact Mass339.04
IUPAC Name2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
SMILESCC(C)C[C@@H](CF)COc1cnc(Br)cc1C(F)F
InChIInChI=1S/C13H17BrF3NO/c1-8(2)3-9(5-15)7-19-11-6-18-12(14)4-10(11)13(16)17/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-/m0/s1
InChIKeyMAPGOBJFPOZMBF-VIFPVBQESA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419804
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine
CID 123426123
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
2,5-dibromo-4-propan-2-ylpyridine
CID 122715591
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
1-[(2-bromo-5-iodo-4-pyridinyl)oxy]propan-2-yl hydrogen sulfate
CID 178122316
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130068624

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine (CID 151033657) is 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine is CC(C)C[C@@H](CF)COc1cnc(Br)cc1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine?
The InChIKey is MAPGOBJFPOZMBF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrF3NO/c1-8(2)3-9(5-15)7-19-11-6-18-12(14)4-10(11)13(16)17/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine?
2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine has a molecular weight of 340.18 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine is sourced from PubChem (CID 151033657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).